N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline

C27H23NO — CID 102280178

IUPACN-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline
SMILESC=CCOc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H23NO/c1-2-20-29-27-15-9-14-26(21-27)28(24-12-7-4-8-13-24)25-18-16-23(17-19-25)22-10-5-3-6-11-22/h2-19,21H,1,20H2
InChIKeyDZHYEYVXRVHFMB-UHFFFAOYSA-N
MW377.49 g/mol
LogP7.39
Rot. Bonds7

About N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline

N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline (PubChem CID 102280178) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline
PubChem CID102280178
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC NameN-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline
SMILESC=CCOc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H23NO/c1-2-20-29-27-15-9-14-26(21-27)28(24-12-7-4-8-13-24)25-18-16-23(17-19-25)22-10-5-3-6-11-22/h2-19,21H,1,20H2
InChIKeyDZHYEYVXRVHFMB-UHFFFAOYSA-N
XLogP7.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline
CID 89119599
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N-[4-[4-(N-[9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 146517121
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline (CID 102280178) is N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline is C=CCOc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline?
The InChIKey is DZHYEYVXRVHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-2-20-29-27-15-9-14-26(21-27)28(24-12-7-4-8-13-24)25-18-16-23(17-19-25)22-10-5-3-6-11-22/h2-19,21H,1,20H2.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline?
N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline has a molecular weight of 377.49 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline is sourced from PubChem (CID 102280178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).